Reactive Force-Field Molecular Dynamics Study of the Effect of Gaseous Species on Silicon-Germanium Alloy Growth by PECVD Techniques
Reactive Force-Field Molecular Dynamics Study of the Effect of Gaseous Species on Silicon-Germanium Alloy Growth by PECVD Techniques
复制标题
气态物质对PECVD技术生长硅锗合金影响的反应力场分子动力学研究
DOI：
10.1109/sispad54002.2021.9592596
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发表时间：
2021
期刊：
影响因子：
--
通讯作者：
and T. Tokumasu
中科院分区：
文献类型：
--
作者：
N. Uene;T. Mabuchi;M. Zaitsu;S. Yasuhara;and T. Tokumasu
利用ReaxFF分子动力学方法模拟了SiHx和GeHx二元体系中SiGe合金的生长过程，研究了气态组分对合金成分和结晶度的影响。由于观察到合金中Ge含量的线性增加，如果可以识别气态物种的组成，则可以估计合金中的组成。与GeH3相比，GeH2的加入降低了结晶度。该机制被描述的流动性和反应性的气体物种和表面结构。这些结果表明，流动性和反应性的表面和气体物种是必不可少的，在确定气体物种的组合物和结晶度的影响。
We simulated the growth of SiGe alloys by using reactive force-field (ReaxFF) molecular dynamics simulations in binary systems of SiHxand GeHxand identify the effect of gaseous species on the compositions and crystallinity in alloys. The compositions in alloys could be estimated if compositions of gaseous species can be identified because of the observation of the linear increase in Ge content in alloys. Supplying GeH2decreased the crystallinity compared to GeH3. The mechanism is described by the mobility and reactivity of the gaseous species and surface structures. These results suggest that the mobility and reactivity of both surface and gaseous species are essential in identifying the effect of gaseous species on composition and crystallinity.